CID 360942

Nsc623656

Structural Information

Molecular Formula
C14H16F3NO2Se
SMILES
C1CCC(CC1)(C[Se]C2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C14H16F3NO2Se/c15-14(16,17)11-5-4-6-12(9-11)21-10-13(18(19)20)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10H2
InChIKey
GDIGNJLOSIOCOH-UHFFFAOYSA-N
Compound name
1-[(1-nitrocyclohexyl)methylselanyl]-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.02985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03713 178.6
[M+Na]+ 390.01907 182.4
[M-H]- 366.02257 179.7
[M+NH4]+ 385.06367 193.6
[M+K]+ 405.99301 174.4
[M+H-H2O]+ 350.02711 173.2
[M+HCOO]- 412.02805 194.0
[M+CH3COO]- 426.04370 198.4
[M+Na-2H]- 388.00452 182.5
[M]+ 367.02930 169.5
[M]- 367.03040 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.